%nprocshared=24
%mem=120GB
#p b3lyp genecp scf=xqc scrf=(smd,solvent=tetrahydrofuran) nosymm guess=always empiricaldispersion=gd3 integral=grid=UltraFine

LSS_LRR_LRR_SP

2 1
 Cu	 5.226958000	 9.608031000	 15.674815000
 Cu	 2.205545000	 10.581592000	 9.088879000
 O	 4.964067000	 7.289200000	 19.163748000
 O	 9.043721000	 8.695969000	 17.172525000
 O	 3.428968000	 12.368057000	 13.070785000
 O	 1.315125000	 10.050213000	 13.152891000
 O	 3.703151000	 12.674875000	 5.817640000
 O	 1.408615000	 8.976757000	 5.306468000
 N	 4.705446000	 8.520589000	 17.309698000
 N	 7.201780000	 9.027525000	 15.935174000
 N	 4.451043000	 11.042394000	 14.563948000
 N	 1.578345000	 10.242292000	 10.933786000
 N	 3.296677000	 11.619037000	 7.753510000
 N	 1.169126000	 9.519972000	 7.477404000
 C	 3.327331000	 8.075813000	 17.629077000
 H	 2.749815000	 8.968501000	 17.885704000
 C	 3.537594000	 7.174176000	 18.874355000
 H	 2.990989000	 7.515918000	 19.754633000
 H	 3.322760000	 6.119387000	 18.689439000
 C	 5.505659000	 8.044873000	 18.192517000
 C	 6.991519000	 8.317014000	 18.360172000
 C	 7.701736000	 8.677130000	 17.064710000
 C	 9.573804000	 9.054822000	 15.861897000
 H	 10.089521000	 8.177861000	 15.464339000
 H	 10.284940000	 9.870312000	 15.997857000
 C	 8.318635000	 9.433311000	 15.038069000
 H	 8.258286000	 8.835717000	 14.125218000
 C	 2.682445000	 7.391700000	 16.440319000
 C	 1.463245000	 7.850734000	 15.931989000
 H	 0.974128000	 8.702418000	 16.398000000
 C	 0.875181000	 7.227223000	 14.827057000
 H	-0.072565000	 7.593867000	 14.442267000
 C	 1.506599000	 6.142275000	 14.217695000
 H	 1.054045000	 5.661377000	 13.354939000
 C	 2.730785000	 5.681677000	 14.715605000
 H	 3.229305000	 4.840017000	 14.241818000
 C	 3.314214000	 6.302820000	 15.819727000
 H	 4.268003000	 5.945540000	 16.201405000
 C	 7.110518000	 9.554865000	 19.299169000
 H	 8.164944000	 9.780809000	 19.480965000
 H	 6.628535000	 9.338133000	 20.257224000
 H	 6.624727000	 10.427195000	 18.850414000
 C	 7.686685000	 7.093911000	 19.002370000
 H	 8.743171000	 7.312783000	 19.167028000
 H	 7.607802000	 6.211832000	 18.358264000
 H	 7.223667000	 6.864086000	 19.963503000
 C	 8.175766000	 10.900681000	 14.678439000
 C	 7.753949000	 11.267506000	 13.395855000
 H	 7.578514000	 10.494818000	 12.651078000
 C	 7.554879000	 12.611216000	 13.067649000
 H	 7.217349000	 12.879775000	 12.070914000
 C	 7.785654000	 13.604063000	 14.022803000
 H	 7.639475000	 14.650762000	 13.769349000
 C	 8.204304000	 13.246327000	 15.309819000
 H	 8.381967000	 14.014052000	 16.057931000
 C	 8.387929000	 11.901831000	 15.638042000
 H	 8.698726000	 11.632987000	 16.645207000
 C	 3.607069000	 10.050153000	 12.418552000
 C	 3.696898000	 13.265718000	 14.189159000
 H	 2.734780000	 13.609027000	 14.576837000
 H	 4.266537000	 14.111482000	 13.804855000
 C	 4.494323000	 12.393127000	 15.191248000
 H	 5.540907000	 12.700545000	 15.220137000
 C	 3.954643000	 12.322934000	 16.604160000
 C	 2.643441000	 11.887620000	 16.843732000
 H	 1.997130000	 11.640004000	 16.005052000
 C	 2.175338000	 11.745391000	 18.150171000
 H	 1.157108000	 11.408525000	 18.326054000
 C	 3.015818000	 12.032839000	 19.232008000
 H	 2.651102000	 11.921368000	 20.249456000
 C	 4.322891000	 12.466665000	 18.999362000
 H	 4.979234000	 12.693971000	 19.834985000
 C	 4.789827000	 12.609802000	 17.689129000
 H	 5.811208000	 12.934607000	 17.506667000
 C	 3.862586000	 11.146889000	 13.431475000
 C	 4.501705000	 10.302863000	 11.190531000
 H	 4.325725000	 9.530254000	 10.436448000
 H	 5.549983000	 10.254454000	 11.501996000
 H	 4.312585000	 11.283522000	 10.752492000
 C	 3.894231000	 8.652872000	 13.002132000
 H	 3.628869000	 7.894074000	 12.262290000
 H	 3.323865000	 8.472606000	 13.913737000
 H	 4.962275000	 8.560640000	 13.225701000
 C	 2.130521000	 10.129780000	 12.086014000
 C	-0.042400000	 10.266245000	 12.666461000
 H	-0.372689000	 11.242692000	 13.030652000
 H	-0.675950000	 9.479953000	 13.076910000
 C	 0.100857000	 10.212672000	 11.125570000
 H	-0.257660000	 9.256128000	 10.733024000
 C	-0.580440000	 11.342974000	 10.383450000
 C	-1.667337000	 11.083218000	 9.542836000
 H	-2.025145000	 10.062727000	 9.429427000
 C	-2.289906000	 12.124087000	 8.848431000
 H	-3.135552000	 11.910547000	 8.200348000
 C	-1.819738000	 13.432622000	 8.981066000
 H	-2.299287000	 14.242033000	 8.437557000
 C	-0.726158000	 13.697048000	 9.812522000
 H	-0.351916000	 14.711938000	 9.913849000
 C	-0.110369000	 12.658815000	 10.511758000
 H	 0.749380000	 12.864122000	 11.143603000
 C	 4.502666000	 12.427945000	 8.044483000
 H	 5.308519000	 11.752410000	 8.345663000
 C	 4.820031000	 13.079295000	 6.668044000
 H	 4.839528000	 14.169805000	 6.691165000
 H	 5.735700000	 12.697917000	 6.211452000
 C	 2.940680000	 11.845077000	 6.537170000
 C	 1.665640000	 11.347875000	 5.864711000
 C	 1.406951000	 9.905192000	 6.277659000
 C	 1.222136000	 7.686251000	 5.967310000
 H	 2.146298000	 7.115950000	 5.842060000
 H	 0.398156000	 7.171981000	 5.471250000
 C	 0.926790000	 8.056780000	 7.447695000
 H	-0.129710000	 7.890282000	 7.682940000
 C	 4.261766000	 13.433018000	 9.156418000
 C	 3.006750000	 14.028421000	 9.339336000
 H	 2.172373000	 13.737668000	 8.708221000
 C	 2.816674000	 14.977705000	 10.346119000
 H	 1.838300000	 15.431576000	 10.479652000
 C	 3.878542000	 15.345188000	 11.176662000
 H	 3.729774000	 16.086058000	 11.957417000
 C	 5.132860000	 14.755397000	 10.998290000
 H	 5.963561000	 15.032475000	 11.641847000
 C	 5.321333000	 13.802938000	 9.994786000
 H	 6.297623000	 13.341398000	 9.862526000
 C	 1.754198000	 11.481940000	 4.334652000
 H	 0.826528000	 11.122200000	 3.882416000
 H	 2.585256000	 10.903398000	 3.923296000
 H	 1.890711000	 12.530481000	 4.061417000
 C	 0.506372000	 12.225491000	 6.417565000
 H	-0.437146000	 11.916321000	 5.957589000
 H	 0.685440000	 13.276894000	 6.171191000
 H	 0.419575000	 12.120117000	 7.500657000
 C	 1.776634000	 7.328325000	 8.469657000
 C	 1.183358000	 6.497344000	 9.425847000
 H	 0.104390000	 6.361204000	 9.422987000
 C	 1.966837000	 5.836306000	 10.376880000
 H	 1.494533000	 5.188284000	 11.109965000
 C	 3.353265000	 6.004118000	 10.380731000
 H	 3.962303000	 5.490364000	 11.119542000
 C	 3.953876000	 6.839546000	 9.431990000
 H	 5.031595000	 6.978647000	 9.432745000
 C	 3.169799000	 7.497995000	 8.484103000
 H	 3.637708000	 8.154637000	 7.754423000

-C -H -F 0
cc-pvtz
****
-O -N -S 0
aug-cc-pvtz
****
-Cu     0
S   1   1.00
8.1760000              1.0000000
S   1   1.00
2.5680000              1.0000000
S   1   1.00
0.9587000              1.0000000
S   1   1.00
0.1153000              1.0000000
S   1   1.00
0.0396000              1.0000000
P   1   1.00
25.6300000              1.0000000
P   1   1.00
3.1660000              1.0000000
P   1   1.00
1.0230000              1.0000000
P   1   1.00
0.0860000              1.0000000
P   1   1.00
0.0240000              1.0000000
D   3   1.00
41.3400000              0.0465424
11.4200000              0.2227824
3.8390000              0.4539059
D   1   1.00
1.2300000              1.0000000
D   1   1.00
0.3102000              1.0000000
D   1   1.00
0.1010000              1.0000000
****

-CU     0
CU-ECP     2     10
d potential
3
1    511.9951763            -10.0000000
2     93.2801074            -72.5548282
2     23.2206669            -12.7450231
s-d potential
4
0    173.1180854              3.0000000
1    185.2419886             23.8351825
2     73.1517847            473.8930488
2     14.6884157            157.6345823
p-d potential
4
0    100.7191369              5.0000000
1    130.8345665              6.4990936
2     53.8683720            351.4605395
2     14.0989469             85.5016036

